4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C14H21N3O3 — CID 114512136

IUPAC4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)c2ncc[nH]2)C1
InChIInChI=1S/C14H21N3O3/c1-3-9-6-10(11(7-9)14(19)20)13(18)17-8(2)12-15-4-5-16-12/h4-5,8-11H,3,6-7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyISIYYAOTAYXSQG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds5

About 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114512136) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114512136
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)c2ncc[nH]2)C1
InChIInChI=1S/C14H21N3O3/c1-3-9-6-10(11(7-9)14(19)20)13(18)17-8(2)12-15-4-5-16-12/h4-5,8-11H,3,6-7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyISIYYAOTAYXSQG-UHFFFAOYSA-N
XLogP1.72
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114512136) is 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NC(C)c2ncc[nH]2)C1.
What is the InChIKey of 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ISIYYAOTAYXSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-9-6-10(11(7-9)14(19)20)13(18)17-8(2)12-15-4-5-16-12/h4-5,8-11H,3,6-7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114512136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).